ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(dimethylaminomethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(dimethylaminomethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(dimethylaminomethyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-(dimethylaminomethyl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(dimethylaminomethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(dimethylaminomethyl)-2-(piperonylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid ethyl ester Formula: C28H35N3O6 MolecularWeight: 509.594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)CN(C)C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)CN(C)C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H35N3O6/c1-4-35-28(34)21-9-7-20(8-10-21)26(32)30-23-11-5-19(16-31(2)3)13-22(23)27(33)29-15-18-6-12-24-25(14-18)37-17-36-24/h5-6,11-14,20-21H,4,7-10,15-17H2,1-3H3,(H,29,33)(H,30,32)